(3R)-2-(4-methoxyphenyl)sulfonyl-N,6,7-tris(oxidanyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(4-methoxyphenyl)sulfonyl-N,6,7-tris(oxidanyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-6,7-dihydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: (3R)-N,6,7-trihydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N,6,7-trihydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-6,7-dihydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3CC2C(=O)NO)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC(=C(C=C3C[C@@H]2C(=O)NO)O)O

InChI

InChI=1S/C17H18N2O7S/c1-26-12-2-4-13(5-3-12)27(24,25)19-9-11-8-16(21)15(20)7-10(11)6-14(19)17(22)18-23/h2-5,7-8,14,20-21,23H,6,9H2,1H3,(H,18,22)/t14-/m1/s1